SCHEMBL19048552

SCHEMBL19048552

O=C(OCc1ccccc1)N(C1CC1)C1CCC2(CC1)OCCCO2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.43
ENPP2 Q13822 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
TRPM8 Q7Z2W7 2/20 0.41
ALDH1A1 P00352 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
CCR5 P51681 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR119 Q8TDV5 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15987294 0.95 C5AR1 (0.47) C5AR1ENPP2SIGMAR1TRPM8ALDH1A1
SCHEMBL6374605 0.86 OPRK1 (0.43) C5AR1ENPP2SIGMAR1TRPM8ALDH1A1
SCHEMBL30942979 0.85 C5AR1 (0.39) C5AR1ENPP2SIGMAR1TRPM8ALDH1A1
SCHEMBL9998686 0.83 CCR5 (0.50) C5AR1CCR5
SCHEMBL803680 0.83 C5AR1 (0.56) C5AR1ALDH1A1CYP2C9CYP2C19PTGDR2
SCHEMBL6356355 0.83 SIGMAR1 (0.49) C5AR1ENPP2SIGMAR1ALDH1A1CYP2C9
SCHEMBL9998607 0.79 CCR5 (0.49) C5AR1CCR5
SCHEMBL21872794 0.79 ENPP2 (0.60) ENPP2SIGMAR1TRPM8ALDH1A1CHRM2
SCHEMBL15987361 0.76 CYP2C19 (0.49) ENPP2SIGMAR1TRPM8ALDH1A1CHRM2
SCHEMBL31601727 0.75 HTR2C (0.51) ENPP2SIGMAR1TRPM8ALDH1A1CHRM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2772484-B1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2017-06-28 EP disclosed